General Information of the Compound
| Compound ID |
CP0395388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H14F3N3O3
|
||||||||||||||||||
| Molecular Weight |
425.366
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H14F3N3O3/c23-12-4-6-13(7-5-12)26-22(31)15-11-28(10-14-16(24)2-1-3-17(14)25)18-8-9-19(29)27-20(18)21(15)30/h1-9,11H,10H2,(H,26,31)(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOFWFQVVSBEFPM-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A